[(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol

C8H17NO3S — CID 59654487

IUPAC[(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
SMILESCC(C)S(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C8H17NO3S/c1-7(2)13(11,12)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyDXLDGKQAENTALA-QMMMGPOBSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds3

About [(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol

[(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol (PubChem CID 59654487) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is [(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
PubChem CID59654487
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name[(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol
SMILESCC(C)S(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C8H17NO3S/c1-7(2)13(11,12)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyDXLDGKQAENTALA-QMMMGPOBSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol (CID 59654487) is [(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol is CC(C)S(=O)(=O)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol?
The InChIKey is DXLDGKQAENTALA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)13(11,12)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of [(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol?
[(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol has a molecular weight of 207.29 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-propan-2-ylsulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 59654487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).